N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide

C20H25N5O — CID 157297296

IUPACN-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
SMILESCc1ccc(-c2ccc3nc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1
InChIInChI=1S/C20H25N5O/c1-13-4-6-14(7-5-13)15-8-9-17-18(11-15)25-19(24-17)20(26)23-12-16(22)3-2-10-21/h4-9,11,16H,2-3,10,12,21-22H2,1H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyOQMARXZBVNSQHG-INIZCTEOSA-N
MW351.45 g/mol
LogP2.33
Rot. Bonds7

About N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide

N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide (PubChem CID 157297296) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
PubChem CID157297296
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
SMILESCc1ccc(-c2ccc3nc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1
InChIInChI=1S/C20H25N5O/c1-13-4-6-14(7-5-13)15-8-9-17-18(11-15)25-19(24-17)20(26)23-12-16(22)3-2-10-21/h4-9,11,16H,2-3,10,12,21-22H2,1H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyOQMARXZBVNSQHG-INIZCTEOSA-N
XLogP2.33
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
CID 135324563
N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
CID 135324525
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-6-(4-fluorophenyl)-1H-benzimidazole-2-carboxamide
CID 142426079
N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
CID 135324583
6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569
[(2S)-5-azaniumyl-1-[[6-(4-methoxyphenyl)-1H-benzimidazole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 157444428
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
CID 143887823
N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methoxyphenyl)-1H-indole-2-carboxamide
CID 135324188
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157
1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide (CID 157297296) is N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide is Cc1ccc(-c2ccc3nc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.
What is the InChIKey of N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is OQMARXZBVNSQHG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13-4-6-14(7-5-13)15-8-9-17-18(11-15)25-19(24-17)20(26)23-12-16(22)3-2-10-21/h4-9,11,16H,2-3,10,12,21-22H2,1H3,(H,23,26)(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide?
N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 157297296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).