2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride

C19H28Cl2N4O — CID 119872625

IUPAC2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCCn1c(C2CCCN2C(=O)CNCC2CC2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-2-22-16-7-4-3-6-15(16)21-19(22)17-8-5-11-23(17)18(24)13-20-12-14-9-10-14;;/h3-4,6-7,14,17,20H,2,5,8-13H2,1H3;2*1H
InChIKeyBMTYNXYRMJWTPN-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.56
Rot. Bonds6

About 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride

2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride (PubChem CID 119872625) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
PubChem CID119872625
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC Name2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCCn1c(C2CCCN2C(=O)CNCC2CC2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-2-22-16-7-4-3-6-15(16)21-19(22)17-8-5-11-23(17)18(24)13-20-12-14-9-10-14;;/h3-4,6-7,14,17,20H,2,5,8-13H2,1H3;2*1H
InChIKeyBMTYNXYRMJWTPN-UHFFFAOYSA-N
XLogP3.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119872621
4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021330
4-(2,3-dichlorophenoxy)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 60620932
3-(4-bromo-2-fluorophenyl)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 60621240
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride (CID 119872625) is 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride is CCn1c(C2CCCN2C(=O)CNCC2CC2)nc2ccccc21.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The InChIKey is BMTYNXYRMJWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c1-2-22-16-7-4-3-6-15(16)21-19(22)17-8-5-11-23(17)18(24)13-20-12-14-9-10-14;;/h3-4,6-7,14,17,20H,2,5,8-13H2,1H3;2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119872625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).