N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride

C24H27ClN4O — CID 90214167

IUPACN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C24H26N4O.ClH/c29-24(20-3-1-2-18(12-20)15-28-11-10-25-16-28)27-21-8-6-19(7-9-21)22-13-23(22)26-14-17-4-5-17;/h1-3,6-12,16-17,22-23,26H,4-5,13-15H2,(H,27,29);1H/t22-,23+;/m0./s1
InChIKeyZMMDATZRTKFJHN-PEADMDKFSA-N
MW422.96 g/mol
LogP4.46
Rot. Bonds8

About N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride (PubChem CID 90214167) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
PubChem CID90214167
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C24H26N4O.ClH/c29-24(20-3-1-2-18(12-20)15-28-11-10-25-16-28)27-21-8-6-19(7-9-21)22-13-23(22)26-14-17-4-5-17;/h1-3,6-12,16-17,22-23,26H,4-5,13-15H2,(H,27,29);1H/t22-,23+;/m0./s1
InChIKeyZMMDATZRTKFJHN-PEADMDKFSA-N
XLogP4.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 90214164
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 71260532
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 155945255
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
3-(imidazol-1-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 155945227
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 90214001

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride (CID 90214167) is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride is Cl.O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is ZMMDATZRTKFJHN-PEADMDKFSA-N. The full InChI is InChI=1S/C24H26N4O.ClH/c29-24(20-3-1-2-18(12-20)15-28-11-10-25-16-28)27-21-8-6-19(7-9-21)22-13-23(22)26-14-17-4-5-17;/h1-3,6-12,16-17,22-23,26H,4-5,13-15H2,(H,27,29);1H/t22-,23+;/m0./s1.
What are the key properties of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride?
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 90214167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).