N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide

C21H25N5O2 — CID 174693151

IUPACN-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide
SMILESNCc1ccc(-c2nc3ccc(NC(=O)CCN4CCOCC4)cc3[nH]2)cc1
InChIInChI=1S/C21H25N5O2/c22-14-15-1-3-16(4-2-15)21-24-18-6-5-17(13-19(18)25-21)23-20(27)7-8-26-9-11-28-12-10-26/h1-6,13H,7-12,14,22H2,(H,23,27)(H,24,25)
InChIKeyQGFKALYFSCUJQQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide

N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide (PubChem CID 174693151) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide
PubChem CID174693151
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide
SMILESNCc1ccc(-c2nc3ccc(NC(=O)CCN4CCOCC4)cc3[nH]2)cc1
InChIInChI=1S/C21H25N5O2/c22-14-15-1-3-16(4-2-15)21-24-18-6-5-17(13-19(18)25-21)23-20(27)7-8-26-9-11-28-12-10-26/h1-6,13H,7-12,14,22H2,(H,23,27)(H,24,25)
InChIKeyQGFKALYFSCUJQQ-UHFFFAOYSA-N
XLogP2.35
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 90832108
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67112884
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690240
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide (CID 174693151) is N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide is NCc1ccc(-c2nc3ccc(NC(=O)CCN4CCOCC4)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide?
The InChIKey is QGFKALYFSCUJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-14-15-1-3-16(4-2-15)21-24-18-6-5-17(13-19(18)25-21)23-20(27)7-8-26-9-11-28-12-10-26/h1-6,13H,7-12,14,22H2,(H,23,27)(H,24,25).
What are the key properties of N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide?
N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 174693151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).