N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide

C16H22N4O — CID 61274236

IUPACN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)CNC3CC3)cc2[nH]1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15-19-12-7-6-11(8-13(12)20-15)18-14(21)9-17-10-4-5-10/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyFXBCHWRRWZKGMI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.55
Rot. Bonds4

About N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide

N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide (PubChem CID 61274236) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
PubChem CID61274236
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)CNC3CC3)cc2[nH]1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15-19-12-7-6-11(8-13(12)20-15)18-14(21)9-17-10-4-5-10/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyFXBCHWRRWZKGMI-UHFFFAOYSA-N
XLogP2.55
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 39693495
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 39951309
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
CID 62639166
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
2-(cyclopropylamino)-N-naphthalen-2-ylacetamide
CID 54917835
2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 119920132
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
2-tert-butyl-N-(1-methylpyrrolidin-3-yl)-3H-benzimidazol-5-amine
CID 62975044
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide?
The IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide (CID 61274236) is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide is CC(C)(C)c1nc2ccc(NC(=O)CNC3CC3)cc2[nH]1.
What is the InChIKey of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide?
The InChIKey is FXBCHWRRWZKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)15-19-12-7-6-11(8-13(12)20-15)18-14(21)9-17-10-4-5-10/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide?
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 61274236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).