N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide

C14H20N4O — CID 62635083

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-10(2)18(3)7-6-15-14(19)11-4-5-12-13(8-11)17-9-16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyRXZDKAWCRVVZID-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.63
Rot. Bonds5

About N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 62635083) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID62635083
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-10(2)18(3)7-6-15-14(19)11-4-5-12-13(8-11)17-9-16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyRXZDKAWCRVVZID-UHFFFAOYSA-N
XLogP1.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 155946321
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide (CID 62635083) is N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide is CC(C)N(C)CCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RXZDKAWCRVVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)18(3)7-6-15-14(19)11-4-5-12-13(8-11)17-9-16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 62635083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).