3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine

C20H18BrN5 — CID 141086349

IUPAC3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine
SMILESBrc1ccc2ncc(-c3nc4ccccc4[nH]3)c(N[C@H]3CCNC3)c2c1
InChIInChI=1S/C20H18BrN5/c21-12-5-6-16-14(9-12)19(24-13-7-8-22-10-13)15(11-23-16)20-25-17-3-1-2-4-18(17)26-20/h1-6,9,11,13,22H,7-8,10H2,(H,23,24)(H,25,26)/t13-/m0/s1
InChIKeyRUGJIUSCVLELPO-ZDUSSCGKSA-N
MW408.30 g/mol
LogP4.31
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine

3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine (PubChem CID 141086349) has the molecular formula C20H18BrN5 and a molecular weight of 408.30 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine
PubChem CID141086349
Molecular FormulaC20H18BrN5
Molecular Weight408.30 g/mol
Exact Mass407.07
IUPAC Name3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine
SMILESBrc1ccc2ncc(-c3nc4ccccc4[nH]3)c(N[C@H]3CCNC3)c2c1
InChIInChI=1S/C20H18BrN5/c21-12-5-6-16-14(9-12)19(24-13-7-8-22-10-13)15(11-23-16)20-25-17-3-1-2-4-18(17)26-20/h1-6,9,11,13,22H,7-8,10H2,(H,23,24)(H,25,26)/t13-/m0/s1
InChIKeyRUGJIUSCVLELPO-ZDUSSCGKSA-N
XLogP4.31
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
CID 141086284
N'-[3-(1H-benzimidazol-2-yl)-6-bromoquinolin-4-yl]-N-methylethane-1,2-diamine
CID 141086374
3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141086265
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
3-(1H-benzimidazol-2-yl)-6-methyl-4-(piperidin-4-ylamino)-1H-quinolin-2-one
CID 135489323
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
CID 136599580
3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
CID 68765479
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine (CID 141086349) is 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine is Brc1ccc2ncc(-c3nc4ccccc4[nH]3)c(N[C@H]3CCNC3)c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine?
The InChIKey is RUGJIUSCVLELPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18BrN5/c21-12-5-6-16-14(9-12)19(24-13-7-8-22-10-13)15(11-23-16)20-25-17-3-1-2-4-18(17)26-20/h1-6,9,11,13,22H,7-8,10H2,(H,23,24)(H,25,26)/t13-/m0/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine?
3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine has a molecular weight of 408.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine is sourced from PubChem (CID 141086349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).