N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide

C21H23N5O — CID 134325386

IUPACN-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cncc(N(C)C)c2)cn1
InChIInChI=1S/C21H23N5O/c1-14-4-5-15(21(27)24-16-6-7-16)8-19(14)20-12-26(13-23-20)18-9-17(25(2)3)10-22-11-18/h4-5,8-13,16H,6-7H2,1-3H3,(H,24,27)
InChIKeyPZVSHJDRWXTUDJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.20
Rot. Bonds5

About N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide (PubChem CID 134325386) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide
PubChem CID134325386
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cncc(N(C)C)c2)cn1
InChIInChI=1S/C21H23N5O/c1-14-4-5-15(21(27)24-16-6-7-16)8-19(14)20-12-26(13-23-20)18-9-17(25(2)3)10-22-11-18/h4-5,8-13,16H,6-7H2,1-3H3,(H,24,27)
InChIKeyPZVSHJDRWXTUDJ-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide (CID 134325386) is N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cncc(N(C)C)c2)cn1.
What is the InChIKey of N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide?
The InChIKey is PZVSHJDRWXTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-4-5-15(21(27)24-16-6-7-16)8-19(14)20-12-26(13-23-20)18-9-17(25(2)3)10-22-11-18/h4-5,8-13,16H,6-7H2,1-3H3,(H,24,27).
What are the key properties of N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[5-(dimethylamino)-3-pyridinyl]imidazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).