N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide

C15H20N4O2 — CID 144530598

IUPACN-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCC(C)(O)Cn1c(N)nc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-15(2,21)8-19-12-6-5-10(7-11(12)18-14(19)16)17-13(20)9-3-4-9/h5-7,9,21H,3-4,8H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyPRLNDAGSBGZUFH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.74
Rot. Bonds4

About N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide

N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide (PubChem CID 144530598) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide
PubChem CID144530598
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCC(C)(O)Cn1c(N)nc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-15(2,21)8-19-12-6-5-10(7-11(12)18-14(19)16)17-13(20)9-3-4-9/h5-7,9,21H,3-4,8H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyPRLNDAGSBGZUFH-UHFFFAOYSA-N
XLogP1.74
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
1-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]ethanone;1-[2-amino-5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-methylpropan-2-ol
CID 158965061
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258
N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 39047383
N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 75434314
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide
CID 18998639
N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
CID 131891899
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide (CID 144530598) is N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide is CC(C)(O)Cn1c(N)nc2cc(NC(=O)C3CC3)ccc21.
What is the InChIKey of N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is PRLNDAGSBGZUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,21)8-19-12-6-5-10(7-11(12)18-14(19)16)17-13(20)9-3-4-9/h5-7,9,21H,3-4,8H2,1-2H3,(H2,16,18)(H,17,20).
What are the key properties of N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide?
N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 144530598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).