N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide

C14H18N4O — CID 115307724

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(CN)(NC(=O)c1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C14H18N4O/c1-14(7-15,10-3-4-10)18-13(19)9-2-5-11-12(6-9)17-8-16-11/h2,5-6,8,10H,3-4,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyXKUHIKZKCASLRF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 115307724) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID115307724
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(CN)(NC(=O)c1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C14H18N4O/c1-14(7-15,10-3-4-10)18-13(19)9-2-5-11-12(6-9)17-8-16-11/h2,5-6,8,10H,3-4,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyXKUHIKZKCASLRF-UHFFFAOYSA-N
XLogP1.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
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CID 79806287
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide (CID 115307724) is N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide is CC(CN)(NC(=O)c1ccc2nc[nH]c2c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is XKUHIKZKCASLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(7-15,10-3-4-10)18-13(19)9-2-5-11-12(6-9)17-8-16-11/h2,5-6,8,10H,3-4,7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 115307724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).