[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

C13H16N4O — CID 145234818

IUPAC[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2ccc(C(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C13H16N4O/c1-14-13-15-10-5-4-9(8-11(10)16-13)12(18)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3,(H2,14,15,16)
InChIKeyPCIIIWKZSRMDNZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.84
Rot. Bonds2

About [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 145234818) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID145234818
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2ccc(C(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C13H16N4O/c1-14-13-15-10-5-4-9(8-11(10)16-13)12(18)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3,(H2,14,15,16)
InChIKeyPCIIIWKZSRMDNZ-UHFFFAOYSA-N
XLogP1.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone
CID 155001431
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
(E)-N-hydroxy-3-[4-[[6-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]methyl]phenyl]prop-2-enamide;hydrochloride
CID 158843175
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110810124
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344
3-[(E)-1,2-diamino-2-[3-(pyrrolidine-1-carbonyl)phenyl]ethenyl]-7-fluoro-1H-quinoxalin-2-one;N-methylmethanamine
CID 142897021

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (CID 145234818) is [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is CNc1nc2ccc(C(=O)N3CCCC3)cc2[nH]1.
What is the InChIKey of [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PCIIIWKZSRMDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-14-13-15-10-5-4-9(8-11(10)16-13)12(18)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3,(H2,14,15,16).
What are the key properties of [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 244.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 145234818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).